CAS RN: 7160-22-7
CAS Name: N-(3,4-dichlorophenyl)-2,2-dimethylpropanamide
OPENEYE Name: N-(3,4-dichlorophenyl)-2,2-dimethyl-propanamide
IUPAC Name: N-(3,4-dichlorophenyl)-2,2-dimethylpropanamide
SYSTEMATIC NAME: N-(3,4-dichlorophenyl)-2,2-dimethyl-propanamide
MOLECULAR FORMULA: C11H13Cl2NO
MOLECULAR WEIGHT: 246.13302
SMILES: CC(C)(C)C(=O)NC1=CC(=C(C=C1)Cl)Cl
Structure:
CAS RN: 7154-75-8
CAS Name: 4-methyl-1-pentyne
OPENEYE Name: 4-methylpent-1-yne
IUPAC Name: 4-methylpent-1-yne
SYSTEMATIC NAME: 4-methylpent-1-yne
MOLECULAR FORMULA: C6H10
MOLECULAR WEIGHT: 82.1436
SMILES: CC(C)CC#C
Structure:
CAS RN: 7152-88-7
CAS Name: 4-hydroxy-3-methoxybenzoic acid 2-methylpropyl ester
OPENEYE Name: isobutyl 4-hydroxy-3-methoxy-benzoate
IUPAC Name: 2-methylpropyl 4-hydroxy-3-methoxybenzoate
SYSTEMATIC NAME: 2-methylpropyl 3-methoxy-4-oxidanyl-benzoate
MOLECULAR FORMULA: C12H16O4
MOLECULAR WEIGHT: 224.25304
SMILES: CC(C)COC(=O)C1=CC(=C(C=C1)O)OC
Structure:
CAS RN: 7152-66-1
CAS Name: 4-methoxy-1-methyl-2-pyrimidinone
OPENEYE Name: 4-methoxy-1-methyl-pyrimidin-2-one
IUPAC Name: 4-methoxy-1-methylpyrimidin-2-one
SYSTEMATIC NAME: 4-methoxy-1-methyl-pyrimidin-2-one
MOLECULAR FORMULA: C6H8N2O2
MOLECULAR WEIGHT: 140.13992
SMILES: CN1C=CC(=NC1=O)OC
Structure:
CAS RN: 7144-15-2
CAS Name: N1,N4-bis(4-methoxyphenyl)benzene-1,4-dicarboxamide
OPENEYE Name: N1,N4-bis(4-methoxyphenyl)terephthalamide
IUPAC Name: 1-N,4-N-bis(4-methoxyphenyl)benzene-1,4-dicarboxamide
SYSTEMATIC NAME: N1,N4-bis(4-methoxyphenyl)benzene-1,4-dicarboxamide
MOLECULAR FORMULA: C22H20N2O4
MOLECULAR WEIGHT: 376.4052
SMILES: COC1=CC=C(C=C1)NC(=O)C2=CC=C(C=C2)C(=O)NC3=CC=C(C=C3)OC
Structure:
CAS RN: 7143-18-2
CAS Name: dodecanoic acid tert-butyl ester
OPENEYE Name: tert-butyl dodecanoate
IUPAC Name: tert-butyl dodecanoate
SYSTEMATIC NAME: tert-butyl dodecanoate
MOLECULAR FORMULA: C16H32O2
MOLECULAR WEIGHT: 256.42408
SMILES: CCCCCCCCCCCC(=O)OC(C)(C)C
Structure:
CAS RN: 7140-63-8
CAS Name: 9-oxabicyclo[4.2.1]nona-2,4,7-triene
OPENEYE Name: 9-oxabicyclo[4.2.1]nona-2,4,7-triene
IUPAC Name: 9-oxabicyclo[4.2.1]nona-2,4,7-triene
SYSTEMATIC NAME: 9-oxabicyclo[4.2.1]nona-2,4,7-triene
MOLECULAR FORMULA: C8H8O
MOLECULAR WEIGHT: 120.14852
SMILES: C1=CC2C=CC(O2)C=C1
Structure:
CAS RN: 7140-45-6
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C10H12N2
MOLECULAR WEIGHT: 160.21568
SMILES: C1CN2CCN1C3=CC=CC=C32
Structure:
CAS RN: 7137-56-6
CAS Name: 1-cyclohexyl-2-nitrobenzene
OPENEYE Name: 1-cyclohexyl-2-nitro-benzene
IUPAC Name: 1-cyclohexyl-2-nitrobenzene
SYSTEMATIC NAME: 1-cyclohexyl-2-nitro-benzene
MOLECULAR FORMULA: C12H15NO2
MOLECULAR WEIGHT: 205.253
SMILES: C1CCC(CC1)C2=CC=CC=C2[N+](=O)[O-]
Structure:
CAS RN: 7137-54-4
CAS Name: 1-nitro-2-propylbenzene
OPENEYE Name: 1-nitro-2-propyl-benzene
IUPAC Name: 1-nitro-2-propylbenzene
SYSTEMATIC NAME: 1-nitro-2-propyl-benzene
MOLECULAR FORMULA: C9H11NO2
MOLECULAR WEIGHT: 165.18914
SMILES: CCCC1=CC=CC=C1[N+](=O)[O-]
Structure:
CAS RN: 7133-36-0
CAS Name: (methylthio)cyclopentane
OPENEYE Name: methylsulfanylcyclopentane
IUPAC Name: methylsulfanylcyclopentane
SYSTEMATIC NAME: methylsulfanylcyclopentane
MOLECULAR FORMULA: C6H12S
MOLECULAR WEIGHT: 116.22448
SMILES: CSC1CCCC1
Structure:
CAS RN: 54835-57-3
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C24H20
MOLECULAR WEIGHT: 308.4156
SMILES: C1CC2=CC3=C(C=C2)C=C(CCC4=CC5=C(C=C4)C=C1C=C5)C=C3
Structure:
CAS RN: 7130-24-7
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C24H20
MOLECULAR WEIGHT: 308.4156
SMILES: C1CC2=CC3=C(C=C2)C=C(CCC4=CC5=C(C=C4)C=C1C=C5)C=C3
Structure:
CAS RN: 73608-51-2
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C24H20
MOLECULAR WEIGHT: 308.4156
SMILES: C1CC2=CC3=C(C=C2)C=C(CCC4=CC5=C(C=C4)C=C1C=C5)C=C3
Structure:
CAS RN: 7129-31-9
CAS Name: 9-azabicyclo[4.2.1]nona-2,4-diene
OPENEYE Name: 9-azabicyclo[4.2.1]nona-2,4-diene
IUPAC Name: 9-azabicyclo[4.2.1]nona-2,4-diene
SYSTEMATIC NAME: 9-azabicyclo[4.2.1]nona-2,4-diene
MOLECULAR FORMULA: C8H11N
MOLECULAR WEIGHT: 121.17964
SMILES: C1CC2C=CC=CC1N2
Structure:
CAS RN: 7127-18-6
CAS Name: difluorocyanamide
OPENEYE Name: difluorocyanamide
IUPAC Name: difluorocyanamide
SYSTEMATIC NAME: bis(fluoranyl)cyanamide
MOLECULAR FORMULA: CF2N2
MOLECULAR WEIGHT: 78.020906
SMILES: C(#N)N(F)F
Structure:
CAS RN: 7125-83-9
CAS Name: 1,1,1-trichloro-3,3,3-trifluoropropane
OPENEYE Name: 1,1,1-trichloro-3,3,3-trifluoro-propane
IUPAC Name: 1,1,1-trichloro-3,3,3-trifluoropropane
SYSTEMATIC NAME: 1,1,1-tris(chloranyl)-3,3,3-tris(fluoranyl)propane
MOLECULAR FORMULA: C3H2Cl3F3
MOLECULAR WEIGHT: 201.40219
SMILES: C(C(F)(F)F)C(Cl)(Cl)Cl
Structure:
CAS RN: 7125-84-0
CAS Name: 1,1,1-trichloro-3,3,3-trifluoropropane
OPENEYE Name: 1,1,1-trichloro-3,3,3-trifluoro-propane
IUPAC Name: 1,1,1-trichloro-3,3,3-trifluoropropane
SYSTEMATIC NAME: 1,1,1-tris(chloranyl)-3,3,3-tris(fluoranyl)propane
MOLECULAR FORMULA: C3H2Cl3F3
MOLECULAR WEIGHT: 201.40219
SMILES: C(C(F)(F)F)C(Cl)(Cl)Cl
Structure:
CAS RN: 7125-60-2
CAS Name: 1,2,3,4,5,6,7,8-octahydroazulene
OPENEYE Name: 1,2,3,4,5,6,7,8-octahydroazulene
IUPAC Name: 1,2,3,4,5,6,7,8-octahydroazulene
SYSTEMATIC NAME: 1,2,3,4,5,6,7,8-octahydroazulene
MOLECULAR FORMULA: C10H16
MOLECULAR WEIGHT: 136.23404
SMILES: C1CCC2=C(CC1)CCC2
Structure:
CAS RN: 7124-86-9
CAS Name: bicyclo[3.2.2]non-6-ene
OPENEYE Name: bicyclo[3.2.2]non-6-ene
IUPAC Name: bicyclo[3.2.2]non-6-ene
SYSTEMATIC NAME: bicyclo[3.2.2]non-6-ene
MOLECULAR FORMULA: C9H14
MOLECULAR WEIGHT: 122.20746
SMILES: C1CC2CCC(C1)C=C2
Structure:
CAS RN: 7119-91-7
CAS Name: 2-bromo-2-nitrosopropane
OPENEYE Name: 2-bromo-2-nitroso-propane
IUPAC Name: 2-bromo-2-nitrosopropane
SYSTEMATIC NAME: 2-bromanyl-2-nitroso-propane
MOLECULAR FORMULA: C3H6BrNO
MOLECULAR WEIGHT: 151.98984
SMILES: CC(C)(N=O)Br
Structure:
CAS RN: 7117-41-1
CAS Name: thiirane 1-oxide
OPENEYE Name: thiirane 1-oxide
IUPAC Name: thiirane 1-oxide
SYSTEMATIC NAME: thiirane 1-oxide
MOLECULAR FORMULA: C2H4OS
MOLECULAR WEIGHT: 76.11756
SMILES: C1CS1=O
Structure:
CAS RN: 7114-39-8
CAS Name: N,N-dimethyl-1,3,2-dioxaphospholan-2-amine
OPENEYE Name: N,N-dimethyl-1,3,2-dioxaphospholan-2-amine
IUPAC Name: N,N-dimethyl-1,3,2-dioxaphospholan-2-amine
SYSTEMATIC NAME: N,N-dimethyl-1,3,2-dioxaphospholan-2-amine
MOLECULAR FORMULA: C4H10NO2P
MOLECULAR WEIGHT: 135.101461
SMILES: CN(C)P1OCCO1
Structure:
CAS RN: 7113-10-2
CAS Name: 2-phenyl-4-thiazolecarboxylic acid
OPENEYE Name: 2-phenylthiazole-4-carboxylic acid
IUPAC Name: 2-phenyl-1,3-thiazole-4-carboxylic acid
SYSTEMATIC NAME: 2-phenyl-1,3-thiazole-4-carboxylic acid
MOLECULAR FORMULA: C10H7NO2S
MOLECULAR WEIGHT: 205.23308
SMILES: C1=CC=C(C=C1)C2=NC(=CS2)C(=O)O
Structure:
CAS RN: 7111-96-8
CAS Name: 3,5-dimethyl-1,3,4-thiadiazole-2-thione
OPENEYE Name: 3,5-dimethyl-1,3,4-thiadiazole-2-thione
IUPAC Name: 3,5-dimethyl-1,3,4-thiadiazole-2-thione
SYSTEMATIC NAME: 3,5-dimethyl-1,3,4-thiadiazole-2-thione
MOLECULAR FORMULA: C4H6N2S2
MOLECULAR WEIGHT: 146.23384
SMILES: CC1=NN(C(=S)S1)C
Structure:
CAS RN: 7099-19-6
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C24H36
MOLECULAR WEIGHT: 324.54264
SMILES: C1CCCC2=C3CCCCCCC3=C4CCCCCCC4=C2CC1
Structure:
CAS RN: 7098-26-2
CAS Name: octatetracontane
OPENEYE Name: octatetracontane
IUPAC Name: octatetracontane
SYSTEMATIC NAME: octatetracontane
MOLECULAR FORMULA: C48H98
MOLECULAR WEIGHT: 675.29172
SMILES: CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC
Structure:
CAS RN: 7095-65-0
CAS Name: bicyclo[3.2.0]hept-3-ene
OPENEYE Name: bicyclo[3.2.0]hept-3-ene
IUPAC Name: bicyclo[3.2.0]hept-3-ene
SYSTEMATIC NAME: bicyclo[3.2.0]hept-3-ene
MOLECULAR FORMULA: C7H10
MOLECULAR WEIGHT: 94.1543
SMILES: C1CC2C1CC=C2
Structure:
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